#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 51963
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name 'peak list'
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details 'Default list'
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 1H . 'not observed' 7002.80112045 Hz . . . . . . 51963 1
2 . . H 1 1H . 'not observed' 7002.80112045 Hz . . . . . . 51963 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
1 $software_1 . . 51963 1
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Type
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . . 51963 1
2 1.0 . . . 51963 1
3 1.0 . . . 51963 1
4 1.0 . . . 51963 1
5 1.0 . . . 51963 1
6 1.0 . . . 51963 1
7 1.0 . . . 51963 1
8 1.0 . . . 51963 1
9 1.0 . . . 51963 1
10 1.0 . . . 51963 1
11 1.0 . . . 51963 1
12 1.0 . . . 51963 1
13 1.0 . . . 51963 1
14 1.0 . . . 51963 1
15 1.0 . . . 51963 1
16 1.0 . . . 51963 1
17 1.0 . . . 51963 1
18 1.0 . . . 51963 1
19 1.0 . . . 51963 1
20 1.0 . . . 51963 1
21 1.0 . . . 51963 1
22 1.0 . . . 51963 1
23 1.0 . . . 51963 1
24 1.0 . . . 51963 1
25 1.0 . . . 51963 1
26 1.0 . . . 51963 1
27 1.0 . . . 51963 1
28 1.0 . . . 51963 1
29 1.0 . . . 51963 1
30 1.0 . . . 51963 1
31 1.0 . . . 51963 1
32 1.0 . . . 51963 1
33 1.0 . . . 51963 1
34 1.0 . . . 51963 1
35 1.0 . . . 51963 1
36 1.0 . . . 51963 1
37 1.0 . . . 51963 1
38 1.0 . . . 51963 1
39 1.0 . . . 51963 1
40 1.0 . . . 51963 1
41 1.0 . . . 51963 1
42 1.0 . . . 51963 1
43 1.0 . . . 51963 1
44 1.0 . . . 51963 1
45 1.0 . . . 51963 1
46 1.0 . . . 51963 1
47 1.0 . . . 51963 1
48 1.0 . . . 51963 1
49 1.0 . . . 51963 1
50 1.0 . . . 51963 1
51 1.0 . . . 51963 1
52 1.0 . . . 51963 1
53 1.0 . . . 51963 1
54 1.0 . . . 51963 1
55 1.0 . . . 51963 1
56 1.0 . . . 51963 1
57 1.0 . . . 51963 1
58 1.0 . . . 51963 1
59 1.0 . . . 51963 1
60 1.0 . . . 51963 1
61 1.0 . . . 51963 1
62 1.0 . . . 51963 1
63 1.0 . . . 51963 1
64 1.0 . . . 51963 1
65 1.0 . . . 51963 1
66 1.0 . . . 51963 1
67 1.0 . . . 51963 1
68 1.0 . . . 51963 1
69 1.0 . . . 51963 1
70 1.0 . . . 51963 1
71 1.0 . . . 51963 1
72 1.0 . . . 51963 1
73 1.0 . . . 51963 1
74 1.0 . . . 51963 1
75 1.0 . . . 51963 1
76 1.0 . . . 51963 1
77 1.0 . . . 51963 1
78 1.0 . . . 51963 1
79 1.0 . . . 51963 1
80 1.0 . . . 51963 1
81 1.0 . . . 51963 1
82 1.0 . . . 51963 1
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 212269.0 . height 51963 1
1 1754818.0 . volume 51963 1
2 836943.0 . height 51963 1
2 6088504.0 . volume 51963 1
3 367626.0 . height 51963 1
3 3125968.0 . volume 51963 1
4 707826.0 . height 51963 1
4 5294391.0 . volume 51963 1
5 409324.0 . height 51963 1
5 3300226.0 . volume 51963 1
6 337952.0 . height 51963 1
6 2803417.0 . volume 51963 1
7 790963.0 . height 51963 1
7 5722643.0 . volume 51963 1
8 389714.0 . height 51963 1
8 3138176.0 . volume 51963 1
9 653808.0 . height 51963 1
9 4905342.0 . volume 51963 1
10 309979.0 . height 51963 1
10 2486536.0 . volume 51963 1
11 290109.0 . height 51963 1
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30 216388.0 . height 51963 1
30 1756056.0 . volume 51963 1
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31 1635938.0 . volume 51963 1
32 230065.0 . height 51963 1
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33 205799.0 . height 51963 1
33 1725587.0 . volume 51963 1
34 506201.0 . height 51963 1
34 3945950.0 . volume 51963 1
35 428833.0 . height 51963 1
35 3451646.0 . volume 51963 1
36 676570.0 . height 51963 1
36 5073778.0 . volume 51963 1
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37 5261816.0 . volume 51963 1
38 808175.0 . height 51963 1
38 6046539.0 . volume 51963 1
39 571182.0 . height 51963 1
39 4543175.0 . volume 51963 1
40 1172048.0 . height 51963 1
40 9104488.0 . volume 51963 1
41 1155534.0 . height 51963 1
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42 1601832.0 . height 51963 1
42 12248952.0 . volume 51963 1
43 1786566.0 . height 51963 1
43 13846700.0 . volume 51963 1
44 255670.0 . height 51963 1
44 2103570.0 . volume 51963 1
45 271269.0 . height 51963 1
45 2209139.0 . volume 51963 1
46 751297.0 . height 51963 1
46 6339428.0 . volume 51963 1
47 229895.0 . height 51963 1
47 1945971.0 . volume 51963 1
48 865694.0 . height 51963 1
48 7534650.0 . volume 51963 1
49 271441.0 . height 51963 1
49 2318924.0 . volume 51963 1
50 891415.0 . height 51963 1
50 7112137.0 . volume 51963 1
51 2134823.0 . height 51963 1
51 15765911.0 . volume 51963 1
52 696531.0 . height 51963 1
52 5704919.0 . volume 51963 1
53 3234654.0 . height 51963 1
53 25406902.0 . volume 51963 1
54 1523096.0 . height 51963 1
54 11311573.0 . volume 51963 1
55 2142980.0 . height 51963 1
55 15996797.0 . volume 51963 1
56 1463598.0 . height 51963 1
56 11308930.0 . volume 51963 1
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57 5234515.0 . volume 51963 1
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58 18841707.0 . volume 51963 1
59 1444830.0 . height 51963 1
59 11372549.0 . volume 51963 1
60 359364.0 . height 51963 1
60 2881454.0 . volume 51963 1
61 778817.0 . height 51963 1
61 5528570.0 . volume 51963 1
62 285569.0 . height 51963 1
62 2392542.0 . volume 51963 1
63 620773.0 . height 51963 1
63 5375205.0 . volume 51963 1
64 1283102.0 . height 51963 1
64 10220735.0 . volume 51963 1
65 842737.0 . height 51963 1
65 7318734.0 . volume 51963 1
66 2583448.0 . height 51963 1
66 21469705.0 . volume 51963 1
67 537216.0 . height 51963 1
67 4668863.0 . volume 51963 1
68 2098207.0 . height 51963 1
68 16906175.0 . volume 51963 1
69 947269.0 . height 51963 1
69 8158710.0 . volume 51963 1
70 2147395.0 . height 51963 1
70 16499581.0 . volume 51963 1
71 361029.0 . height 51963 1
71 3390507.0 . volume 51963 1
72 1520966.0 . height 51963 1
72 12680818.0 . volume 51963 1
73 1792952.0 . height 51963 1
73 15125938.0 . volume 51963 1
74 1975441.0 . height 51963 1
74 16838690.0 . volume 51963 1
75 2052764.0 . height 51963 1
75 18261296.0 . volume 51963 1
76 202138.0 . height 51963 1
76 1795171.0 . volume 51963 1
77 822450.0 . height 51963 1
77 7172545.0 . volume 51963 1
78 1255479.0 . height 51963 1
78 9921561.0 . volume 51963 1
79 227278.0 . height 51963 1
79 1933732.0 . volume 51963 1
80 1880575.0 . height 51963 1
80 14611811.0 . volume 51963 1
81 2337101.0 . height 51963 1
81 16921799.0 . volume 51963 1
82 1964889.0 . height 51963 1
82 15959892.0 . volume 51963 1
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 8.635 . 23.5416433390 . . . . . . . . . . . 51963 1
1 2 0.827 . 53.9188291512 . . . . . . . . . . . 51963 1
2 1 8.210 . 14.9293356583 . . . . . . . . . . . 51963 1
2 2 0.823 . 25.7643998838 . . . . . . . . . . . 51963 1
3 1 8.348 . 32.9273922437 . . . . . . . . . . . 51963 1
3 2 0.815 . 22.8597169497 . . . . . . . . . . . 51963 1
4 1 7.917 . 13.3626267356 . . . . . . . . . . . 51963 1
4 2 0.815 . 25.3866533605 . . . . . . . . . . . 51963 1
5 1 7.723 . 25.3804967183 . . . . . . . . . . . 51963 1
5 2 0.801 . 54.9026397096 . . . . . . . . . . . 51963 1
6 1 8.349 . 34.8604735540 . . . . . . . . . . . 51963 1
6 2 0.759 . 21.5353084212 . . . . . . . . . . . 51963 1
7 1 8.210 . 14.5562848791 . . . . . . . . . . . 51963 1
7 2 0.759 . 25.1863016134 . . . . . . . . . . . 51963 1
8 1 7.723 . 25.2314851064 . . . . . . . . . . . 51963 1
8 2 0.759 . 55.7311776639 . . . . . . . . . . . 51963 1
9 1 7.917 . 13.3077387048 . . . . . . . . . . . 51963 1
9 2 0.753 . 24.9095657626 . . . . . . . . . . . 51963 1
10 1 8.330 . 15.4508763001 . . . . . . . . . . . 51963 1
10 2 1.336 . 71.7843614039 . . . . . . . . . . . 51963 1
11 1 8.198 . 23.1817406433 . . . . . . . . . . . 51963 1
11 2 1.301 . 71.8811980816 . . . . . . . . . . . 51963 1
12 1 8.035 . 11.1695055534 . . . . . . . . . . . 51963 1
12 2 1.290 . 22.7841676450 . . . . . . . . . . . 51963 1
13 1 7.916 . 14.9303791570 . . . . . . . . . . . 51963 1
13 2 1.388 . 29.3289913851 . . . . . . . . . . . 51963 1
14 1 7.716 . 20.3363284343 . . . . . . . . . . . 51963 1
14 2 1.482 . 22.8956133044 . . . . . . . . . . . 51963 1
15 1 7.916 . 14.1852167474 . . . . . . . . . . . 51963 1
15 2 1.516 . 62.1549555567 . . . . . . . . . . . 51963 1
16 1 7.917 . 14.9867280859 . . . . . . . . . . . 51963 1
16 2 1.466 . 69.1180135690 . . . . . . . . . . . 51963 1
17 1 8.635 . 17.1913799285 . . . . . . . . . . . 51963 1
17 2 1.542 . 55.0954782662 . . . . . . . . . . . 51963 1
18 1 8.330 . 16.0999324809 . . . . . . . . . . . 51963 1
18 2 1.587 . 33.7759653727 . . . . . . . . . . . 51963 1
19 1 8.350 . 35.7845959877 . . . . . . . . . . . 51963 1
19 2 1.540 . 31.2569595519 . . . . . . . . . . . 51963 1
20 1 8.350 . 29.4456545378 . . . . . . . . . . . 51963 1
20 2 1.478 . 28.0254528302 . . . . . . . . . . . 51963 1
21 1 8.330 . 15.9073026240 . . . . . . . . . . . 51963 1
21 2 1.759 . 34.2455397801 . . . . . . . . . . . 51963 1
22 1 8.330 . 15.7373166886 . . . . . . . . . . . 51963 1
22 2 1.676 . 34.3594898363 . . . . . . . . . . . 51963 1
23 1 8.199 . 18.3362545086 . . . . . . . . . . . 51963 1
23 2 1.758 . 31.4944598521 . . . . . . . . . . . 51963 1
24 1 8.230 . 38.3531679960 . . . . . . . . . . . 51963 1
24 2 1.675 . 72.4709835373 . . . . . . . . . . . 51963 1
25 1 8.200 . 37.8431058397 . . . . . . . . . . . 51963 1
25 2 1.672 . 33.8915850268 . . . . . . . . . . . 51963 1
26 1 8.228 . 16.8512515327 . . . . . . . . . . . 51963 1
26 2 1.625 . 66.7213057937 . . . . . . . . . . . 51963 1
27 1 8.199 . 17.8464362267 . . . . . . . . . . . 51963 1
27 2 1.592 . 29.5285083333 . . . . . . . . . . . 51963 1
28 1 8.210 . 16.0473401473 . . . . . . . . . . . 51963 1
28 2 1.520 . 29.7196772920 . . . . . . . . . . . 51963 1
29 1 8.232 . 14.5054664932 . . . . . . . . . . . 51963 1
29 2 1.469 . 25.7063813570 . . . . . . . . . . . 51963 1
30 1 7.087 . 22.6426692236 . . . . . . . . . . . 51963 1
30 2 1.678 . 72.8441386664 . . . . . . . . . . . 51963 1
31 1 7.087 . 23.3758313983 . . . . . . . . . . . 51963 1
31 2 1.620 . 74.3976995057 . . . . . . . . . . . 51963 1
32 1 7.087 . 22.4005775291 . . . . . . . . . . . 51963 1
32 2 1.520 . 71.0238595637 . . . . . . . . . . . 51963 1
33 1 7.089 . 22.4540046617 . . . . . . . . . . . 51963 1
33 2 1.468 . 75.3952842467 . . . . . . . . . . . 51963 1
34 1 8.384 . 15.2549072474 . . . . . . . . . . . 51963 1
34 2 2.032 . 31.9181203174 . . . . . . . . . . . 51963 1
35 1 8.335 . 16.9088526600 . . . . . . . . . . . 51963 1
35 2 2.005 . 32.7575106581 . . . . . . . . . . . 51963 1
36 1 8.251 . 14.0563446601 . . . . . . . . . . . 51963 1
36 2 1.977 . 32.2432745071 . . . . . . . . . . . 51963 1
37 1 8.383 . 14.7502712843 . . . . . . . . . . . 51963 1
37 2 1.898 . 32.0625405352 . . . . . . . . . . . 51963 1
38 1 8.250 . 13.2256153585 . . . . . . . . . . . 51963 1
38 2 1.873 . 32.5550719136 . . . . . . . . . . . 51963 1
39 1 8.335 . 16.5749330814 . . . . . . . . . . . 51963 1
39 2 1.865 . 33.0960216309 . . . . . . . . . . . 51963 1
40 1 8.384 . 15.1247829616 . . . . . . . . . . . 51963 1
40 2 2.259 . 29.8557495203 . . . . . . . . . . . 51963 1
41 1 8.336 . 17.0843691385 . . . . . . . . . . . 51963 1
41 2 2.261 . 26.6234079997 . . . . . . . . . . . 51963 1
42 1 8.251 . 14.4550655068 . . . . . . . . . . . 51963 1
42 2 2.240 . 27.9574167161 . . . . . . . . . . . 51963 1
43 1 8.368 . 13.7818001565 . . . . . . . . . . . 51963 1
43 2 2.705 . 46.5513110495 . . . . . . . . . . . 51963 1
44 1 8.198 . 17.0609947680 . . . . . . . . . . . 51963 1
44 2 2.900 . 28.9975762033 . . . . . . . . . . . 51963 1
45 1 8.331 . 17.7285208756 . . . . . . . . . . . 51963 1
45 2 2.897 . 30.3249065282 . . . . . . . . . . . 51963 1
46 1 8.208 . 20.9400967724 . . . . . . . . . . . 51963 1
46 2 3.190 . 26.4777355835 . . . . . . . . . . . 51963 1
47 1 8.551 . 30.8577691307 . . . . . . . . . . . 51963 1
47 2 3.157 . 28.8477297924 . . . . . . . . . . . 51963 1
48 1 8.223 . 29.7876090563 . . . . . . . . . . . 51963 1
48 2 3.084 . 28.5693243438 . . . . . . . . . . . 51963 1
49 1 8.551 . 33.6860157862 . . . . . . . . . . . 51963 1
49 2 3.073 . 28.2850753026 . . . . . . . . . . . 51963 1
50 1 7.087 . 22.6232601481 . . . . . . . . . . . 51963 1
50 2 3.084 . 26.2318872938 . . . . . . . . . . . 51963 1
51 1 8.248 . 14.1113370407 . . . . . . . . . . . 51963 1
51 2 3.931 . 25.5761527214 . . . . . . . . . . . 51963 1
52 1 8.400 . 33.3365480773 . . . . . . . . . . . 51963 1
52 2 3.902 . 48.5882204788 . . . . . . . . . . . 51963 1
53 1 8.255 . 14.2566964072 . . . . . . . . . . . 51963 1
53 2 3.816 . 53.1299441468 . . . . . . . . . . . 51963 1
54 1 8.384 . 13.9747430630 . . . . . . . . . . . 51963 1
54 2 4.228 . 25.8111486248 . . . . . . . . . . . 51963 1
55 1 8.251 . 13.8213487566 . . . . . . . . . . . 51963 1
55 2 4.225 . 24.2054128513 . . . . . . . . . . . 51963 1
56 1 8.228 . 15.6201317865 . . . . . . . . . . . 51963 1
56 2 4.181 . 25.8954633184 . . . . . . . . . . . 51963 1
57 1 8.034 . 15.6855591539 . . . . . . . . . . . 51963 1
57 2 4.134 . 28.4678962718 . . . . . . . . . . . 51963 1
58 1 7.917 . 13.3073213054 . . . . . . . . . . . 51963 1
58 2 4.142 . 25.2727033043 . . . . . . . . . . . 51963 1
59 1 8.255 . 13.6191187119 . . . . . . . . . . . 51963 1
59 2 4.363 . 46.7274536272 . . . . . . . . . . . 51963 1
60 1 8.634 . 21.9731082936 . . . . . . . . . . . 51963 1
60 2 4.229 . 26.9352054062 . . . . . . . . . . . 51963 1
61 1 8.366 . 11.7943525648 . . . . . . . . . . . 51963 1
61 2 4.503 . 39.0189201558 . . . . . . . . . . . 51963 1
62 1 8.545 . 39.3127172100 . . . . . . . . . . . 51963 1
62 2 4.617 . 74.6959314293 . . . . . . . . . . . 51963 1
63 1 8.209 . 26.7417407503 . . . . . . . . . . . 51963 1
63 2 4.608 . 31.6651762367 . . . . . . . . . . . 51963 1
64 1 7.715 . 20.4106255406 . . . . . . . . . . . 51963 1
64 2 4.116 . 24.2417266055 . . . . . . . . . . . 51963 1
65 1 8.345 . 29.4326108043 . . . . . . . . . . . 51963 1
65 2 4.294 . 47.2921951144 . . . . . . . . . . . 51963 1
66 1 8.189 . 31.6917854531 . . . . . . . . . . . 51963 1
66 2 1.120 . 22.5788071042 . . . . . . . . . . . 51963 1
67 1 8.189 . 32.6586913328 . . . . . . . . . . . 51963 1
67 2 4.138 . 31.9410772885 . . . . . . . . . . . 51963 1
68 1 8.331 . 16.4045297465 . . . . . . . . . . . 51963 1
68 2 4.263 . 30.3562114887 . . . . . . . . . . . 51963 1
69 1 8.335 . 27.5562958223 . . . . . . . . . . . 51963 1
69 2 4.285 . 50.1939562522 . . . . . . . . . . . 51963 1
70 1 8.209 . 29.0345160567 . . . . . . . . . . . 51963 1
70 2 4.290 . 30.3912730444 . . . . . . . . . . . 51963 1
71 1 8.212 . 40.5271931523 . . . . . . . . . . . 51963 1
71 2 4.146 . 52.9746715428 . . . . . . . . . . . 51963 1
72 1 8.212 . 18.0190309089 . . . . . . . . . . . 51963 1
72 2 4.366 . 26.5223973272 . . . . . . . . . . . 51963 1
73 1 8.212 . 36.7757110369 . . . . . . . . . . . 51963 1
73 2 1.122 . 21.8817499839 . . . . . . . . . . . 51963 1
74 1 8.189 . 30.0741537946 . . . . . . . . . . . 51963 1
74 2 4.284 . 30.9914934869 . . . . . . . . . . . 51963 1
75 1 8.197 . 29.5946661498 . . . . . . . . . . . 51963 1
75 2 4.294 . 30.5649112253 . . . . . . . . . . . 51963 1
77 1 8.209 . 30.5412238052 . . . . . . . . . . . 51963 1
77 2 3.086 . 29.1611967968 . . . . . . . . . . . 51963 1
78 1 8.258 . 14.5070317413 . . . . . . . . . . . 51963 1
78 2 4.338 . 49.0590470846 . . . . . . . . . . . 51963 1
79 1 8.199 . 17.5754396187 . . . . . . . . . . . 51963 1
79 2 1.362 . 77.2297549315 . . . . . . . . . . . 51963 1
80 1 8.255 . 13.6129620696 . . . . . . . . . . . 51963 1
80 2 3.776 . 67.9968785839 . . . . . . . . . . . 51963 1
81 1 8.210 . 16.0946106376 . . . . . . . . . . . 51963 1
81 2 1.522 . 31.3771706001 . . . . . . . . . . . 51963 1
82 1 7.716 . 20.5444020717 . . . . . . . . . . . 51963 1
82 2 1.486 . 24.0772712131 . . . . . . . . . . . 51963 1
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 1 . . 8.635 . . 1 . 1 1 2 LEU H . . . . . . . . . . 10 . 51963 1
1 2 1 . . 0.827 . . 1 . 1 1 2 LEU MD1 . . . . . . . . . . 11 . 51963 1
2 1 1 . . 8.210 . . 1 . 1 1 21 LEU H . . . . . . . . . . 43 . 51963 1
2 2 4 . . 0.823 . . 1 . 1 1 21 LEU MD2 . . . . . . . . . . 135 . 51963 1
3 1 1 . . 8.348 . . 1 . 1 1 15 LEU H . . . . . . . . . . 28 . 51963 1
3 2 4 . . 0.815 . . 1 . 1 1 15 LEU MD2 . . . . . . . . . . 134 . 51963 1
4 1 1 . . 7.917 . . 1 . 1 1 5 LEU H . . . . . . . . . . 5 . 51963 1
4 2 3 . . 0.815 . . 1 . 1 1 5 LEU MD2 . . . . . . . . . . 104 . 51963 1
5 1 1 . . 7.723 . . 1 . 1 1 22 LEU H . . . . . . . . . . 1 . 51963 1
5 2 3 . . 0.801 . . 1 . 1 1 22 LEU MD2 . . . . . . . . . . 103 . 51963 1
6 1 1 . . 8.349 . . 1 . 1 1 15 LEU H . . . . . . . . . . 28 . 51963 1
6 2 1 . . 0.759 . . 1 . 1 1 15 LEU MD1 . . . . . . . . . . 12 . 51963 1
7 1 1 . . 8.210 . . 1 . 1 1 21 LEU H . . . . . . . . . . 43 . 51963 1
7 2 2 . . 0.759 . . 1 . 1 1 21 LEU MD1 . . . . . . . . . . 105 . 51963 1
8 1 1 . . 7.723 . . 1 . 1 1 22 LEU H . . . . . . . . . . 1 . 51963 1
8 2 2 . . 0.759 . . 1 . 1 1 22 LEU MD1 . . . . . . . . . . 2 . 51963 1
9 1 1 . . 7.917 . . 1 . 1 1 5 LEU H . . . . . . . . . . 5 . 51963 1
9 2 1 . . 0.753 . . 1 . 1 1 5 LEU MD1 . . . . . . . . . . 9 . 51963 1
10 1 1 . . 8.330 . . 1 . 1 1 7 LYS H . . . . . . . . . . 30 . 51963 1
10 2 1 . . 1.336 . . 1 . 1 1 7 LYS HG2 . . . . . . . . . . 31 . 51963 1
11 1 2 . . 8.198 . . 1 . 1 1 10 LYS H . . . . . . . . . . 55 . 51963 1
11 2 1 . . 1.301 . . 1 . 1 1 10 LYS HG2 . . . . . . . . . . 125 . 51963 1
12 1 1 . . 8.035 . . 1 . 1 1 4 ALA H . . . . . . . . . . 63 . 51963 1
12 2 1 . . 1.290 . . 1 . 1 1 4 ALA MB . . . . . . . . . . 64 . 51963 1
13 1 1 . . 7.916 . . 1 . 1 1 5 LEU H . . . . . . . . . . 5 . 51963 1
13 2 1 . . 1.388 . . 1 . 1 1 5 LEU HG . . . . . . . . . . 7 . 51963 1
14 1 2 . . 7.716 . . 1 . 1 1 22 LEU H . . . . . . . . . . 1 . 51963 1
14 2 3 . . 1.482 . . 1 . 1 1 22 LEU HB2 . . . . . . . . . . 3 . 51963 1
15 1 1 . . 7.916 . . 1 . 1 1 5 LEU H . . . . . . . . . . 5 . 51963 1
15 2 1 . . 1.516 . . 1 . 1 1 5 LEU HB2 . . . . . . . . . . 8 . 51963 1
16 1 1 . . 7.917 . . 1 . 1 1 5 LEU H . . . . . . . . . . 5 . 51963 1
16 2 2 . . 1.466 . . 1 . 1 1 5 LEU HB3 . . . . . . . . . . 129 . 51963 1
17 1 1 . . 8.635 . . 1 . 1 1 2 LEU H . . . . . . . . . . 10 . 51963 1
17 2 1 . . 1.542 . . 1 . 1 1 2 LEU HB2 . . . . . . . . . . 13 . 51963 1
18 1 1 . . 8.330 . . 1 . 1 1 7 LYS H . . . . . . . . . . 30 . 51963 1
18 2 2 . . 1.587 . . 1 . 1 1 7 LYS HD2 . . . . . . . . . . 127 . 51963 1
19 1 1 . . 8.350 . . 1 . 1 1 15 LEU H . . . . . . . . . . 28 . 51963 1
19 2 1 . . 1.540 . . 1 . 1 1 15 LEU HB2 . . . . . . . . . . 29 . 51963 1
20 1 1 . . 8.350 . . 1 . 1 1 15 LEU H . . . . . . . . . . 28 . 51963 1
20 2 2 . . 1.478 . . 1 . 1 1 15 LEU HG . . . . . . . . . . 106 . 51963 1
21 1 1 . . 8.330 . . 1 . 1 1 7 LYS H . . . . . . . . . . 30 . 51963 1
21 2 2 . . 1.759 . . 1 . 1 1 7 LYS HB3 . . . . . . . . . . 126 . 51963 1
22 1 1 . . 8.330 . . 1 . 1 1 7 LYS H . . . . . . . . . . 30 . 51963 1
22 2 1 . . 1.676 . . 1 . 1 1 7 LYS HB2 . . . . . . . . . . 78 . 51963 1
23 1 1 . . 8.199 . . 1 . 1 1 10 LYS H . . . . . . . . . . 55 . 51963 1
23 2 1 . . 1.758 . . 1 . 1 1 10 LYS HB2 . . . . . . . . . . 73 . 51963 1
24 1 1 . . 8.230 . . 1 . 1 1 13 ARG H . . . . . . . . . . 75 . 51963 1
24 2 4 . . 1.675 . . 1 . 1 1 13 ARG HB3 . . . . . . . . . . 132 . 51963 1
25 1 2 . . 8.200 . . 1 . 1 1 10 LYS H . . . . . . . . . . 55 . 51963 1
25 2 2 . . 1.672 . . 1 . 1 1 10 LYS HB3 . . . . . . . . . . 122 . 51963 1
26 1 1 . . 8.228 . . 1 . 1 1 13 ARG H . . . . . . . . . . 75 . 51963 1
26 2 2 . . 1.625 . . 1 . 1 1 13 ARG HB2 . . . . . . . . . . 69 . 51963 1
27 1 1 . . 8.199 . . 1 . 1 1 10 LYS H . . . . . . . . . . 55 . 51963 1
27 2 1 . . 1.592 . . 1 . 1 1 10 LYS HD2 . . . . . . . . . . 74 . 51963 1
28 1 1 . . 8.210 . . 1 . 1 1 21 LEU H . . . . . . . . . . 43 . 51963 1
28 2 1 . . 1.520 . . 1 . 1 1 21 LEU HB2 . . . . . . . . . . 45 . 51963 1
29 1 1 . . 8.232 . . 1 . 1 1 13 ARG H . . . . . . . . . . 75 . 51963 1
29 2 2 . . 1.469 . . 1 . 1 1 13 ARG HG2 . . . . . . . . . . 68 . 51963 1
30 1 1 . . 7.087 . . 1 . 1 1 13 ARG HE . . . . . . . . . . 67 . 51963 1
30 2 3 . . 1.678 . . 1 . 1 1 13 ARG HB3 . . . . . . . . . . 132 . 51963 1
31 1 1 . . 7.087 . . 1 . 1 1 13 ARG HE . . . . . . . . . . 67 . 51963 1
31 2 1 . . 1.620 . . 1 . 1 1 13 ARG HB2 . . . . . . . . . . 69 . 51963 1
32 1 1 . . 7.087 . . 1 . 1 1 13 ARG HE . . . . . . . . . . 67 . 51963 1
32 2 2 . . 1.520 . . 1 . . . . . . . . . . . . . . . . 107 . 51963 1
33 1 1 . . 7.089 . . 1 . 1 1 13 ARG HE . . . . . . . . . . 67 . 51963 1
33 2 1 . . 1.468 . . 1 . 1 1 13 ARG HG2 . . . . . . . . . . 68 . 51963 1
34 1 1 . . 8.384 . . 1 . 1 1 19 GLN H . . . . . . . . . . 23 . 51963 1
34 2 1 . . 2.032 . . 1 . 1 1 19 GLN HB3 . . . . . . . . . . 25 . 51963 1
35 1 2 . . 8.335 . . 1 . 1 1 12 GLN H . . . . . . . . . . 109 . 51963 1
35 2 2 . . 2.005 . . 1 . 1 1 12 GLN HB3 . . . . . . . . . . 111 . 51963 1
36 1 1 . . 8.251 . . 1 . 1 1 20 GLN H . . . . . . . . . . 37 . 51963 1
36 2 1 . . 1.977 . . 1 . 1 1 20 GLN HB3 . . . . . . . . . . 40 . 51963 1
37 1 1 . . 8.383 . . 1 . 1 1 19 GLN H . . . . . . . . . . 23 . 51963 1
37 2 1 . . 1.898 . . 1 . 1 1 19 GLN HB2 . . . . . . . . . . 24 . 51963 1
38 1 1 . . 8.250 . . 1 . 1 1 20 GLN H . . . . . . . . . . 37 . 51963 1
38 2 1 . . 1.873 . . 1 . 1 1 20 GLN HB2 . . . . . . . . . . 39 . 51963 1
39 1 2 . . 8.335 . . 1 . 1 1 12 GLN H . . . . . . . . . . 109 . 51963 1
39 2 2 . . 1.865 . . 1 . 1 1 12 GLN HB2 . . . . . . . . . . 110 . 51963 1
40 1 1 . . 8.384 . . 1 . 1 1 19 GLN H . . . . . . . . . . 23 . 51963 1
40 2 1 . . 2.259 . . 1 . 1 1 19 GLN HG2 . . . . . . . . . . 26 . 51963 1
41 1 2 . . 8.336 . . 1 . 1 1 12 GLN H . . . . . . . . . . 109 . 51963 1
41 2 2 . . 2.261 . . 1 . 1 1 12 GLN HG2 . . . . . . . . . . 112 . 51963 1
42 1 1 . . 8.251 . . 1 . 1 1 20 GLN H . . . . . . . . . . 37 . 51963 1
42 2 1 . . 2.240 . . 1 . 1 1 20 GLN HG2 . . . . . . . . . . 41 . 51963 1
43 1 1 . . 8.368 . . 1 . 1 1 3 ASN H . . . . . . . . . . 48 . 51963 1
43 2 1 . . 2.705 . . 1 . 1 1 3 ASN HB2 . . . . . . . . . . 49 . 51963 1
44 1 1 . . 8.198 . . 1 . 1 1 10 LYS H . . . . . . . . . . 55 . 51963 1
44 2 2 . . 2.900 . . 1 . 1 1 10 LYS HE2 . . . . . . . . . . 128 . 51963 1
45 1 1 . . 8.331 . . 1 . 1 1 7 LYS H . . . . . . . . . . 30 . 51963 1
45 2 1 . . 2.897 . . 1 . 1 1 7 LYS HE2 . . . . . . . . . . 57 . 51963 1
46 1 1 . . 8.208 . . 1 . 1 1 6 HIS H . . . . . . . . . . 60 . 51963 1
46 2 1 . . 3.190 . . 1 . 1 1 6 HIS HB3 . . . . . . . . . . 62 . 51963 1
47 1 1 . . 8.551 . . 1 . 1 1 14 HIS H . . . . . . . . . . 16 . 51963 1
47 2 2 . . 3.157 . . 1 . 1 1 14 HIS HB3 . . . . . . . . . . 18 . 51963 1
48 1 2 . . 8.223 . . 1 . 1 1 13 ARG H . . . . . . . . . . 75 . 51963 1
48 2 2 . . 3.084 . . 1 . 1 1 13 ARG HD2 . . . . . . . . . . 70 . 51963 1
49 1 1 . . 8.551 . . 1 . 1 1 14 HIS H . . . . . . . . . . 16 . 51963 1
49 2 2 . . 3.073 . . 1 . 1 1 14 HIS HB2 . . . . . . . . . . 17 . 51963 1
50 1 1 . . 7.087 . . 1 . 1 1 13 ARG HE . . . . . . . . . . 67 . 51963 1
50 2 1 . . 3.084 . . 1 . 1 1 13 ARG HD2 . . . . . . . . . . 70 . 51963 1
51 1 1 . . 8.248 . . 1 . 1 1 17 GLY H . . . . . . . . . . 82 . 51963 1
51 2 1 . . 3.931 . . 1 . 1 1 17 GLY HA2 . . . . . . . . . . 83 . 51963 1
52 1 1 . . 8.400 . . 1 . 1 1 16 GLY H . . . . . . . . . . 46 . 51963 1
52 2 3 . . 3.902 . . 1 . 1 1 16 GLY HA2 . . . . . . . . . . 47 . 51963 1
53 1 1 . . 8.255 . . 1 . 1 1 18 SER H . . . . . . . . . . 51 . 51963 1
53 2 1 . . 3.816 . . 1 . 1 1 18 SER HB2 . . . . . . . . . . 53 . 51963 1
54 1 1 . . 8.384 . . 1 . 1 1 19 GLN H . . . . . . . . . . 23 . 51963 1
54 2 1 . . 4.228 . . 1 . 1 1 19 GLN HA . . . . . . . . . . 27 . 51963 1
55 1 1 . . 8.251 . . 1 . 1 1 20 GLN H . . . . . . . . . . 37 . 51963 1
55 2 2 . . 4.225 . . 1 . 1 1 20 GLN HA . . . . . . . . . . 42 . 51963 1
56 1 1 . . 8.228 . . 1 . 1 1 13 ARG H . . . . . . . . . . 75 . 51963 1
56 2 4 . . 4.181 . . 1 . 1 1 13 ARG HA . . . . . . . . . . 133 . 51963 1
57 1 1 . . 8.034 . . 1 . 1 1 4 ALA H . . . . . . . . . . 63 . 51963 1
57 2 1 . . 4.134 . . 1 . 1 1 4 ALA HA . . . . . . . . . . 65 . 51963 1
58 1 1 . . 7.917 . . 1 . 1 1 5 LEU H . . . . . . . . . . 5 . 51963 1
58 2 1 . . 4.142 . . 1 . 1 1 5 LEU HA . . . . . . . . . . 6 . 51963 1
59 1 1 . . 8.255 . . 1 . 1 1 18 SER H . . . . . . . . . . 51 . 51963 1
59 2 1 . . 4.363 . . 1 . 1 1 18 SER HA . . . . . . . . . . 54 . 51963 1
60 1 1 . . 8.634 . . 1 . 1 1 2 LEU H . . . . . . . . . . 10 . 51963 1
60 2 1 . . 4.229 . . 1 . 1 1 2 LEU HA . . . . . . . . . . 14 . 51963 1
61 1 1 . . 8.366 . . 1 . 1 1 3 ASN H . . . . . . . . . . 48 . 51963 1
61 2 1 . . 4.503 . . 1 . 1 1 3 ASN HA . . . . . . . . . . 50 . 51963 1
62 1 1 . . 8.545 . . 1 . 1 1 14 HIS H . . . . . . . . . . 16 . 51963 1
62 2 1 . . 4.617 . . 1 . 1 1 14 HIS HA . . . . . . . . . . 91 . 51963 1
63 1 1 . . 8.209 . . 1 . 1 1 6 HIS H . . . . . . . . . . 60 . 51963 1
63 2 1 . . 4.608 . . 1 . 1 1 6 HIS HA . . . . . . . . . . 89 . 51963 1
64 1 1 . . 7.715 . . 1 . 1 1 22 LEU H . . . . . . . . . . 1 . 51963 1
64 2 1 . . 4.116 . . 1 . 1 1 22 LEU HA . . . . . . . . . . 4 . 51963 1
65 1 1 . . 8.345 . . 1 . 1 1 15 LEU H . . . . . . . . . . 28 . 51963 1
65 2 1 . . 4.294 . . 1 . 1 1 15 LEU HA . . . . . . . . . . 87 . 51963 1
66 1 1 . . 8.189 . . 1 . 1 1 8 THR H . . . . . . . . . . 97 . 51963 1
66 2 1 . . 1.120 . . 1 . 1 1 8 THR MG . . . . . . . . . . 99 . 51963 1
67 1 1 . . 8.189 . . 1 . 1 1 8 THR H . . . . . . . . . . 97 . 51963 1
67 2 1 . . 4.138 . . 1 . 1 1 8 THR HB . . . . . . . . . . 98 . 51963 1
68 1 1 . . 8.331 . . 1 . 1 1 7 LYS H . . . . . . . . . . 30 . 51963 1
68 2 1 . . 4.263 . . 1 . 1 1 7 LYS HA . . . . . . . . . . 113 . 51963 1
69 1 1 . . 8.335 . . 1 . 1 1 12 GLN H . . . . . . . . . . 109 . 51963 1
69 2 1 . . 4.285 . . 1 . 1 1 12 GLN HA . . . . . . . . . . 114 . 51963 1
70 1 1 . . 8.209 . . 1 . 1 1 21 LEU H . . . . . . . . . . 43 . 51963 1
70 2 1 . . 4.290 . . 1 . 1 1 21 LEU HA . . . . . . . . . . 115 . 51963 1
71 1 1 . . 8.212 . . 1 . 1 1 9 THR H . . . . . . . . . . 116 . 51963 1
71 2 1 . . 4.146 . . 1 . 1 1 9 THR HB . . . . . . . . . . 118 . 51963 1
72 1 1 . . 8.212 . . 1 . 1 1 9 THR H . . . . . . . . . . 116 . 51963 1
72 2 1 . . 4.366 . . 1 . 1 1 9 THR HA . . . . . . . . . . 117 . 51963 1
73 1 1 . . 8.212 . . 1 . 1 1 9 THR H . . . . . . . . . . 116 . 51963 1
73 2 1 . . 1.122 . . 1 . 1 1 9 THR MG . . . . . . . . . . 119 . 51963 1
74 1 1 . . 8.189 . . 1 . 1 1 8 THR H . . . . . . . . . . 97 . 51963 1
74 2 1 . . 4.284 . . 1 . 1 1 8 THR HA . . . . . . . . . . 120 . 51963 1
75 1 1 . . 8.197 . . 1 . 1 1 10 LYS H . . . . . . . . . . 55 . 51963 1
75 2 1 . . 4.294 . . 1 . 1 1 10 LYS HA . . . . . . . . . . 121 . 51963 1
77 1 1 . . 8.209 . . 1 . 1 1 6 HIS H . . . . . . . . . . 60 . 51963 1
77 2 1 . . 3.086 . . 1 . 1 1 6 HIS HB2 . . . . . . . . . . 61 . 51963 1
78 1 1 . . 8.258 . . 1 . 1 1 11 SER H . . . . . . . . . . 123 . 51963 1
78 2 1 . . 4.338 . . 1 . 1 1 11 SER HA . . . . . . . . . . 124 . 51963 1
79 1 1 . . 8.199 . . 1 . 1 1 10 LYS H . . . . . . . . . . 55 . 51963 1
79 2 1 . . 1.362 . . 1 . 1 1 10 LYS HG3 . . . . . . . . . . 130 . 51963 1
80 1 1 . . 8.255 . . 1 . 1 1 11 SER H . . . . . . . . . . 123 . 51963 1
80 2 1 . . 3.776 . . 1 . 1 1 11 SER HB2 . . . . . . . . . . 131 . 51963 1
81 1 1 . . 8.210 . . 1 . 1 1 21 LEU H . . . . . . . . . . 43 . 51963 1
81 2 1 . . 1.522 . . 1 . 1 1 21 LEU HG . . . . . . . . . . 136 . 51963 1
82 1 1 . . 7.716 . . 1 . 1 1 22 LEU H . . . . . . . . . . 1 . 51963 1
82 2 1 . . 1.486 . . 1 . 1 1 22 LEU HG . . . . . . . . . . 96 . 51963 1
stop_
save_